Information card for entry 4332320

Structure parameters

• Formula: C17 H11 Cu I3 N4
• Calculated formula: C17 H11 Cu I3 N4
• Title of publication: Dinuclear Cu(I) Complexes of 1,2,4,5-Tetra(7-azaindolyl)benzene: Persistent 3-Coordinate Geometry, Luminescence, and Reactivity
• Authors of publication: Zhao, Shu-Bin; Wang, Rui-Yao; Wang, Suning
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5830 - 5840
• a: 8.9966 ± 0.0015 Å
• b: 23.441 ± 0.004 Å
• c: 9.4998 ± 0.0016 Å
• α: 90°
• β: 108.838 ± 0.003°
• γ: 90°
• Cell volume: 1896.1 ± 0.6 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1585
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.1135
• Goodness-of-fit parameter for all reflections included in the refinement: 0.847
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No